REMARK Name = BDB009422 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.843 -0.710 -0.857 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.749 -0.349 -2.198 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.013 -1.068 -3.057 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.417 0.777 -2.669 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.207 1.532 -1.799 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.346 1.159 -0.453 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.647 0.035 0.015 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.483 -3.556 0.820 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 5.070 -2.537 0.261 0.00 0.00 +0.265 C ATOM 10 N LIG 1 3.993 -2.571 -0.627 0.00 0.00 -0.293 N ATOM 11 C LIG 1 3.091 -3.722 -0.589 0.00 0.00 +0.127 C ATOM 12 C LIG 1 1.761 -3.329 0.077 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.177 -2.106 -0.503 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.197 -1.931 -0.347 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.927 -2.748 0.213 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.121 -0.978 -0.668 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.423 -1.427 -1.344 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 5.776 -1.252 0.564 0.00 0.00 +0.126 A ATOM 19 N LIG 1 5.027 -0.121 0.664 0.00 0.00 -0.242 NA ATOM 20 C LIG 1 5.654 1.021 0.991 0.00 0.00 +0.072 A ATOM 21 C LIG 1 7.043 1.083 1.237 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.650 2.305 1.573 0.00 0.00 +0.010 A ATOM 23 C LIG 1 6.887 3.467 1.667 0.00 0.00 +0.001 A ATOM 24 C LIG 1 5.519 3.412 1.428 0.00 0.00 +0.002 A ATOM 25 C LIG 1 7.784 -0.102 1.140 0.00 0.00 +0.012 A ATOM 26 C LIG 1 4.918 2.194 1.095 0.00 0.00 +0.028 A ATOM 27 C LIG 1 7.142 -1.289 0.807 0.00 0.00 +0.033 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 28 ATOM 28 C LIG 1 -3.220 1.958 0.487 0.00 0.00 +0.094 C BRANCH 28 29 ATOM 29 C LIG 1 -4.654 2.110 -0.006 0.00 0.00 +0.087 A ATOM 30 C LIG 1 -5.619 0.973 0.195 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -5.223 -0.232 0.767 0.00 0.00 -0.342 N ATOM 32 H LIG 1 -4.246 -0.467 0.602 0.00 0.00 +0.146 HD ATOM 33 C LIG 1 -6.099 -1.399 0.700 0.00 0.00 +0.102 C ATOM 34 C LIG 1 -7.541 -0.964 0.945 0.00 0.00 +0.023 C ATOM 35 C LIG 1 -7.955 0.150 -0.026 0.00 0.00 +0.044 C ATOM 36 C LIG 1 -6.883 1.191 -0.200 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -7.258 2.469 -0.843 0.00 0.00 +0.270 A ATOM 38 O LIG 1 -8.403 2.689 -1.226 0.00 0.00 -0.266 OA ATOM 39 N LIG 1 -6.250 3.384 -0.997 0.00 0.00 -0.243 N ATOM 40 H LIG 1 -6.492 4.269 -1.429 0.00 0.00 +0.192 HD ATOM 41 N LIG 1 -4.963 3.237 -0.579 0.00 0.00 -0.174 NA ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 4